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Compound Detail

CHEMBL2063495

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O=C(Cn1cncn1)c1ccc(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2063495
Phase Preclinical
Structure Type MOL
InChI Key XCHRPVARHBCFMJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

223.2
MW (Da)
1.44
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H7F2N3O
MW 223.18
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -2.51

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27318979 10.1016/j.ejmech.2016.04.065 NON-PROTEIN TARGET 4
22884108 10.1016/j.bmcl.2012.07.064 Staphylococcus aureus 2
22884108 10.1016/j.bmcl.2012.07.064 Escherichia coli 1
22884108 10.1016/j.bmcl.2012.07.064 Pseudomonas aeruginosa 1
22884108 10.1016/j.bmcl.2012.07.064 Bacillus subtilis 1
22884108 10.1016/j.bmcl.2012.07.064 Micrococcus luteus 1
22884108 10.1016/j.bmcl.2012.07.064 Shigella dysenteriae 1
22884108 10.1016/j.bmcl.2012.07.064 Bacillus 1
22884108 10.1016/j.bmcl.2012.07.064 Candida albicans 1
22884108 10.1016/j.bmcl.2012.07.064 Candida 1
27318979 10.1016/j.ejmech.2016.04.065 Unchecked 1

Data from ChEMBL 36 via Core Engine